Acetic Acid → HCID 67486594, compound

HRID 203918Notes

Reaction equation

HRID 203918 reaction equation
[C:30]([OH:31])(=[O:32])[CH3:33].[CH3:1][CH2:2][O-:3].[CH3:34][CH2:35][OH:36].[CH3:37][S:38]([CH3:39])=[O:40].[CH3:41][CH2:42][O:43][C:44]([CH3:45])=[O:46].[Na+:4].[O:22]1[CH2:23][CH2:24][CH:25]([CH:28]=[O:29])[CH2:26][CH2:27]1.[n:5]1(-[c:10]2[cH:11][cH:12][c:13]([CH2:16][C:17](=[O:18])[O:19][CH2:20][CH3:21])[cH:14][cH:15]2)[n:6][n:7][cH:8][cH:9]1>>[n:5]1(-[c:10]2[cH:11][cH:12][c:13]([C:16]([C:17](=[O:18])[O:19][CH2:20][CH3:21])=[CH:28][CH:25]3[CH2:24][CH2:23][O:22][CH2:27][CH2:26]3)[cH:14][cH:15]2)[n:6][n:7][cH:8][cH:9]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 679Dimethyl SulfoxideHCID 702EthanolHCID 923Sodium ionHCID 8857Ethyl AcetateHCID 1194401-Hydroxyethyl radicalHCID 9964078Tetrahydro-2H-pyran-4-carboxaldehydeHCID 14196994HCID 14196994, compound

Product 1

HCID 67486594HCID 67486594, compound

Sources & evidence

ORD record
ord-58512619e88147d2b79ac1b7d9a0e63d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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